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1 Gram |
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1-(9-chlorophenanthren-3-yl)-2-(didecylamino)ethanol 5431-29-8 98%
【Name】
1-(9-chlorophenanthren-3-yl)-2-(didecylamino)ethanol
【Iupac name】
1-(9-chlorophenanthren-3-yl)-2-(didecylamino)ethanol hydrochloride
【CAS Registry number】
5431-29-8
【Synonyms】
5431-29-8
NSC13501
NSC-13501
1-(9-CHLOROPHENANTHREN-3-YL)-2-(DIDECYLAMINO)ETHANOL HYDROCHLORIDE
【Molecular Formula】
C36H54ClNO (Products with the same molecular formula)
【Molecular Weight】
552.2731
【Inchi】
InChI=1/C36H54ClNO/c1-3-5-7-9-11-13-15-19-25-38(26-20-16-14-12-10-8-6-4-2)29-36(39)31-24-23-30-28-35(37)33-22-18-17-21-32(33)34(30)27-31/h17-18,21-24,27-28,36,39H,3-16,19-20,25-26,29H2,1-2H3
【Canonical SMILES】
CCCCCCCCCCN(CCCCCCCCCC)CC(C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl)O.Cl
【MOL File】
5431-29-8.mol
Chemical and Physical Properties
【Density】
1.026g/cm3
【Boiling Point】
668°C at 760 mmHg
【Refractive Index】
1.561
【Flash Point】
357.8°C
【Computed Properties】
Molecular Weight:588.734 [g/mol]
Molecular Formula:C36H55Cl2NO
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:21
Exact Mass:587.366071
MonoIsotopic Mass:587.366071
Topological Polar Surface Area:23.5
Heavy Atom Count:40
Formal Charge:0
Complexity:579
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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